1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane

C7H10F6 — CID 19105659

IUPAC1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
SMILESCCCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-4-5(2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyUMDYYXGWJOJCSZ-UHFFFAOYSA-N
MW208.14 g/mol
LogP3.92
Rot. Bonds2

About 1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane

1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane (PubChem CID 19105659) has the molecular formula C7H10F6 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
PubChem CID19105659
Molecular FormulaC7H10F6
Molecular Weight208.14 g/mol
Exact Mass208.07
IUPAC Name1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
SMILESCCCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-4-5(2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyUMDYYXGWJOJCSZ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Methyl-2-trifluoromethylperfluoropentane
CID 11515508
1-(Perfluoro-t-butyl)butane
CID 23236215
1,1,1,2,2-Pentafluoro-3,3-dimethylbutane
CID 23262889
1,1,1,2,3,3-Hexafluoro-4,4-dimethylpentane
CID 10727045
1,2,2-Trifluoro-3,3-dimethylbutane
CID 12634319
2,2-Difluoro-3,3-dimethylbutane
CID 14917271
1,1,1,2,3,3-Hexafluoro-4-methylpentane
CID 15576969
1,1,2-Trifluoro-3,3-dimethyl-butane
CID 21731060
1,1,2,2-Tetrafluoro-3,3-dimethyl-butane
CID 21731061
1,1,1,5,5,5-Hexafluoro-3-methyl-3-(2,2,2-trifluoroethyl)pentane
CID 23272226
1,1,3,3-Tetramethyl-2,2,4,4-tetrafluorocyclobutane
CID 129670310
1,1,1,5,5,5-Hexafluoro-2-methylpentane
CID 12578244

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane (CID 19105659) is 1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane is CCCC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane?
The InChIKey is UMDYYXGWJOJCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6/c1-3-4-5(2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane?
1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane has a molecular weight of 208.14 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane is sourced from PubChem (CID 19105659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).